N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide

C17H25NO — CID 142833117

IUPACN-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CCC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C17H25NO/c1-6-16(19)18(7-2)13-12-17(4,5)15-10-8-14(3)9-11-15/h6,8-11H,1,7,12-13H2,2-5H3
InChIKeyXIEZRMRFFTVULM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.70
Rot. Bonds6

About N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide

N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide (PubChem CID 142833117) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide
PubChem CID142833117
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CCC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C17H25NO/c1-6-16(19)18(7-2)13-12-17(4,5)15-10-8-14(3)9-11-15/h6,8-11H,1,7,12-13H2,2-5H3
InChIKeyXIEZRMRFFTVULM-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide (CID 142833117) is N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide is C=CC(=O)N(CC)CCC(C)(C)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide?
The InChIKey is XIEZRMRFFTVULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-6-16(19)18(7-2)13-12-17(4,5)15-10-8-14(3)9-11-15/h6,8-11H,1,7,12-13H2,2-5H3.
What are the key properties of N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide?
N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide has a molecular weight of 259.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-methyl-3-(4-methylphenyl)butyl]prop-2-enamide is sourced from PubChem (CID 142833117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).